N-[1-[(2R)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]benzenesulfonamide

Systemtic Name: N-[1-[(2R)-3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]benzenesulfonamide Openeye Name: N-[1-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-yl]benzenesulfonamide CAS Name: N-[1-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-4-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: N-[1-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperidin-1-ium-4-yl]benzenesulfonamide Traditional Name: N-[1-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-yl]benzenesulfonamide Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC[C@@H](C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O4S/c1-17-8-9-18(2)22(14-17)28-16-20(25)15-24-12-10-19(11-13-24)23-29(26,27)21-6-4-3-5-7-21/h3-9,14,19-20,23,25H,10-13,15-16H2,1-2H3/p+1/t20-/m1/s1